Information card for entry 4318752

Structure parameters

• Formula: C34 H28 Cl3 N2 P2 Tc
• Calculated formula: C34 H28 Cl3 N2 P2 Tc
• SMILES: [Tc]1(Cl)(Cl)(Cl)([P](c2[n]1cccc2)(c1ccccc1)c1ccccc1)[P](c1ncccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reduction of the Pertechnetate Anion with Bidentate Phosphine Ligands
• Authors of publication: Evan Freiberg; William M. Davis; Terrence Nicholson; Alan Davison; Alun G. Jones
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5667 - 5674
• a: 11.222 ± 0.002 Å
• b: 15.089 ± 0.003 Å
• c: 18.763 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3177.1 ± 1.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No